J5B
Summary
| Name: | (3R)-3-hydroxybutyl alpha-D-glucopyranoside |
| Synonyms: | (2~{R},3~{S},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-[(3~{R})-3-oxidanylbutoxy]oxane-3,4,5-triol reacted 3,4-EPOXYBUTYL-ALPHA-D-GLUCOPYRANOSIDE; (3R)-3-hydroxybutyl alpha-D-glucoside; (3R)-3-hydroxybutyl D-glucoside; (3R)-3-hydroxybutyl glucoside |
| Formula: | C10 H20 O7 |
| Formal charge: | 0 |
| Formula weight: | 252.262 Da |
| Component type: | D-saccharide |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | (2~{R},3~{S},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-[(3~{R})-3-oxidanylbutoxy]oxane-3,4,5-triol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C10H20O7/c1-5(12)2-3-16-10-9(15)8(14)7(13)6(4-11)17-10/h5-15H,2-4H2,1H3/t5-,6-,7-,8+,9-,10+/m1/s1 |
| InChIKey | InChI | 1.03 | IQTXPPTUXXJFDH-JQRWTQJCSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@@H](O)CCO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |
| SMILES | CACTVS | 3.385 | C[CH](O)CCO[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | C[C@H](CCO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | CC(CCOC1C(C(C(C(O1)CO)O)O)O)O |
